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Title: /fe_acac2trien model_c2_6a_bp_d3_tzvp_opt_tml
Authors: Mariusz, Radon
Jagiellonian University
Keywords: spin-state energetics;Spin crossover
Issue Date: 1-Feb-2019
Publisher: Jagiellonian University, Faculty of Chemistry
Description: Simplified model w/o CH3 groups, sextet (6A) optimized in gas phase.
Appears in Collections:benchmark2019

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